orbital_charges     :real:2:4,15
  0.774040892469659E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.761812191601382E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.915424461081434E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.941617368729884E+000  0.000000000000000E+000  0.000000000000000E+000
  0.000000000000000E+000  0.913173559503912E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.913173615197650E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
  0.100260283404776E+001  0.771378436380980E+000  0.845016170246383E+000
  0.755563549056022E+000  0.105664242143081E+001  0.770401872118906E+000
  0.830724851555034E+000  0.816669467504098E+000  0.119497344400407E+001
  0.906851056881299E+000  0.110762977091103E+001  0.935390295783087E+000
  0.118701964909196E+001  0.921549008475165E+000  0.101205586926133E+001
  0.863122061689274E+000  0.126326300283936E+001  0.979230812892019E+000
  0.999412122250446E+000  0.936603257175948E+000  0.174889755283348E+001
  0.181274663434642E+001  0.150273480558837E+001  0.151808475036139E+001
  0.175516636444264E+001  0.141429295533924E+001  0.143470373603570E+001
  0.192321408223644E+001  0.140420120072350E+001  0.110499013574375E+001
  0.163048847918329E+001  0.107626132834795E+001  0.142368696722922E+001
  0.109689452174318E+001  0.165558370059529E+001  0.112271074307124E+001
forces              :real:2:3,15
 -0.501511657418168E-002 -0.316944579854978E-002 -0.759413778124382E-007
  0.168083495992874E-002  0.195053399546271E-002  0.298338068670452E-006
 -0.236995775818002E-002 -0.178642504411880E-002  0.140626828844131E-007
  0.854129360038253E-003  0.259668602219093E-002 -0.356057614220483E-009
 -0.587606102121765E-003 -0.585915598013522E-003 -0.129922530330223E-002
 -0.587620012500502E-003 -0.585910517439504E-003  0.129922490759731E-002
 -0.145555600177283E-001  0.143905114721734E-001  0.770901805783198E-006
  0.631352366307908E-003 -0.191126182611486E-002  0.697808258294261E-006
 -0.729196029136280E-002  0.339783427129649E-002 -0.156036984762596E-006
 -0.353176850078698E-002 -0.673436778756361E-002  0.149464388871048E-007
 -0.527973358359283E-002 -0.254791813553169E-002 -0.527292914616998E-007
  0.115294581144755E-001 -0.656546267371527E-002 -0.285249341266153E-006
  0.343711897398786E-002  0.408332343597635E-002 -0.260208604988499E-006
 -0.377148016365420E-002 -0.221116321085807E-001 -0.182825725094930E-006
  0.248579092293709E-001  0.195794502925279E-001 -0.782314166594161E-006
total_energy        :real:0:
 -0.222463229865586E+002
end_coords          :real:2:3,15
  0.410979497722133E+000 -0.505826734814898E+001  0.000000000000000E+000
  0.387902919840002E+001  0.174756757163610E+001  0.000000000000000E+000
 -0.367192845813369E+001 -0.322958139872714E+001  0.000000000000000E+000
 -0.635063205447821E+001  0.585350183866276E+000  0.000000000000000E+000
 -0.494439812925518E+001  0.314640888879182E+001  0.166126756518967E+001
 -0.494439812925518E+001  0.314640888879182E+001 -0.166126756518967E+001
  0.256426556992816E+001 -0.187932493673778E+001  0.000000000000000E+000
  0.000000000000000E+000  0.211857558524781E+001  0.000000000000000E+000
 -0.229514402271667E+001  0.579070624406228E+000  0.000000000000000E+000
 -0.205179644826341E+001 -0.196873921161339E+001  0.000000000000000E+000
 -0.478067415933069E+001  0.192836143641542E+001  0.000000000000000E+000
  0.461873975991738E+001 -0.294511905594037E+001  0.000000000000000E+000
  0.447506011355375E-001  0.444273068134114E+001  0.000000000000000E+000
  0.274221917654665E+000 -0.314875403874364E+001  0.000000000000000E+000
  0.225342265234082E+001  0.722120992015664E+000  0.188972598857892E-004
